1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 2-phenyl-1-[5-(p-tolylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[5-[(4-methylphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-[(4-methylphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-[(4-methylbenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H21N5O/c1-17-9-11-19(12-10-17)15-25-23-26-22(20-8-5-13-24-16-20)27-28(23)21(29)14-18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,25,26,27)